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2,4,6-Triisopropyl-N-(((1S*,2S*5S*)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)methyl)benzenesulfonamide
SpectraBase Compound ID 17XfGQ6wa9w
InChI InChI=1S/C23H33NO4S/c1-13(2)16-9-18(14(3)4)23(19(10-16)15(5)6)29(26,27)24-12-20-21(25)11-17-7-8-22(20)28-17/h7-10,13-15,17,20,22,24H,11-12H2,1-6H3/t17-,20-,22+/m1/s1
InChIKey KFZMSJQQMNVZAS-ZNLUXHQJSA-N
Mol Weight 419.6 g/mol
Molecular Formula C23H33NO4S
Exact Mass 419.21303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rJVaqD65Q
Name 2,4,6-Triisopropyl-N-(((1S*,2S*5S*)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)methyl)benzenesulfonamide
Alternate Name(s) 2,4,6-triisopropyl-N-(((1S,2S,5S)-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)methyl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO4S
InChI InChI=1S/C23H33NO4S/c1-13(2)16-9-18(14(3)4)23(19(10-16)15(5)6)29(26,27)24-12-20-21(25)11-17-7-8-22(20)28-17/h7-10,13-15,17,20,22,24H,11-12H2,1-6H3/t17-,20-,22+/m1/s1
InChIKey KFZMSJQQMNVZAS-ZNLUXHQJSA-N
Literature Reference DOI 10.1039/c3cc48266a
Molecular Weight 419.580 g/mol
SMILES N(C[C@@]1(C(=O)C[C@]2(C=C[C@]1([H])O2)[H])[H])S(c1c(cc(cc1C(C)C)C(C)C)C(C)C)(=O)=O
SPLASH splash10-0150-3960000000-78ec4be042ce80e11acf
Source of Spectrum KD-50-1738/SMS32-beta_4da
Wiley ID 1754309